ChemPager: Now Expanded for Even Greener Chemistry
DOI:
https://doi.org/10.2533/chimia.2019.724PMID:
31514773Keywords:
Data analysis, Green chemistry, Pmi, Process development, Route scoutingAbstract
ChemPager is a freely available data analysis tool for analyzing, comparing and improving synthetic routes. Here, we present an expansion of this application that makes use of the functionality of the PMI Predictor, which the ACS Green Chemistry Institute Pharmaceutical Roundtable has recently published as a web application. This addition enables ChemPager to predict the cumulative process mass intensity of chemical routes, irrespective of their development status, by comparison with a set of reactions executed on large scale. The prediction of this core green chemistry metric aims to improve existing routes and help the decision-making process among route alternatives without the need for experimental data.Downloads
Published
2019-09-18
Issue
Section
Scientific Articles
License
Copyright (c) 2019 Swiss Chemical Society
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This work is licensed under a Creative Commons Attribution-NonCommercial 4.0 International License.
How to Cite
[1]
H. Loureiro, M. Prem, G. Wuitschik, Chimia 2019, 73, 724, DOI: 10.2533/chimia.2019.724.